(1-benzylcyclobutyl)-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone

C18H23N5O — CID 97328635

IUPAC(1-benzylcyclobutyl)-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(N1CCC[C@H](c2nn[nH]n2)C1)C1(Cc2ccccc2)CCC1
InChIInChI=1S/C18H23N5O/c24-17(18(9-5-10-18)12-14-6-2-1-3-7-14)23-11-4-8-15(13-23)16-19-21-22-20-16/h1-3,6-7,15H,4-5,8-13H2,(H,19,20,21,22)/t15-/m0/s1
InChIKeyWLBSWTKBZZXFJH-HNNXBMFYSA-N
MW325.42 g/mol
LogP2.32
Rot. Bonds4

About (1-benzylcyclobutyl)-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone

(1-benzylcyclobutyl)-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 97328635) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (1-benzylcyclobutyl)-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzylcyclobutyl)-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
PubChem CID97328635
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(1-benzylcyclobutyl)-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(N1CCC[C@H](c2nn[nH]n2)C1)C1(Cc2ccccc2)CCC1
InChIInChI=1S/C18H23N5O/c24-17(18(9-5-10-18)12-14-6-2-1-3-7-14)23-11-4-8-15(13-23)16-19-21-22-20-16/h1-3,6-7,15H,4-5,8-13H2,(H,19,20,21,22)/t15-/m0/s1
InChIKeyWLBSWTKBZZXFJH-HNNXBMFYSA-N
XLogP2.32
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-benzylcyclobutyl)-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-benzylcyclobutyl)-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-benzylcyclobutyl)-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (CID 97328635) is (1-benzylcyclobutyl)-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-benzylcyclobutyl)-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-benzylcyclobutyl)-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is O=C(N1CCC[C@H](c2nn[nH]n2)C1)C1(Cc2ccccc2)CCC1.
What is the InChIKey of (1-benzylcyclobutyl)-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is WLBSWTKBZZXFJH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N5O/c24-17(18(9-5-10-18)12-14-6-2-1-3-7-14)23-11-4-8-15(13-23)16-19-21-22-20-16/h1-3,6-7,15H,4-5,8-13H2,(H,19,20,21,22)/t15-/m0/s1.
What are the key properties of (1-benzylcyclobutyl)-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
(1-benzylcyclobutyl)-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 325.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylcyclobutyl)-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 97328635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).